In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 20 | Yes |
Popular Name: [4-[(1R)-3-amino-1-ethyl-propyl]piperazin-1-yl]-(3-pyridyl)methanone [4-[(1R)-3-amino-1-ethyl-propyl]…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -0.50 | 2.23 | -55.66 | 3 | 5 | 1 | 64 | 277.392 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.50 | 3.99 | -117.18 | 4 | 5 | 2 | 65 | 278.4 | 5 | ↓ |